| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 14th, 2011 | 21 | Yes |
Popular Name: (1-isopropylpyrrol-2-yl)-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)methanone (1-isopropylpyrrol-2-yl)-(2,3,4,…
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 2.41 | 8.11 | -44.39 | 2 | 4 | 1 | 42 | 284.383 | 2 | ↓ |
| Hi High (pH 8-9.5) | 2.41 | 6.86 | -8.59 | 1 | 4 | 0 | 37 | 283.375 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
